Information card for entry 7063434

Structure parameters

• Formula: C41 H41 N2 O P
• Calculated formula: C41 H41 N2 O P
• Title of publication: Diastereoselective dearomative bifunctionalization of isoquinolinium salts to access bridged tetrahydroisoquinolines
• Authors of publication: Pei, Jiaqi; Tang, Tiantian; Zhang, Jianing; Qin, Yunlong; Cheng, Pengfei; Wang, Qilin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 16151 - 16154
• a: 11.0596 ± 0.0007 Å
• b: 11.2945 ± 0.0008 Å
• c: 15.3318 ± 0.0009 Å
• α: 111.6 ± 0.006°
• β: 93.776 ± 0.005°
• γ: 104.186 ± 0.006°
• Cell volume: 1700.3 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No